Spectrum Details
MiMe ID:MMDBc0002625
Compound Name:Asterriquinone B1
Derivative IUPAC Name:2,5-dimethoxy-3-[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]-6-[2-(2-methylbut-3-en-2-yl)-1-(trimethylsilyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
Derivative SMILES:C=CC(C)(C)C1=C(C2=C(OC)C(=O)C(C3=CNC4=C(CC=C(C)C)C=CC=C34)=C(OC)C2=O)C2=CC=CC=C2N1[Si](C)(C)C
Derivative InChIKey:InChIKey=QYXPJRVBPLSAIW-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive
Splash Key:Not Available
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Positive
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C34H34N2O4
Molecular Weight (Monoisotopic Mass):534.2519 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file777 Bytes
mzML formatted file (MZML)Download file4.63 KB
References